6-iodoimidazo[1,2-a]pyridine

• ChemBase ID: 42242
• Molecular Formular: C7H5IN2
• Molecular Mass: 244.03247
• Monoisotopic Mass: 243.94974617
• SMILES: n12c(ncc2)ccc(c1)I
• Canonical SMILES: Ic1ccc2n(c1)ccn2
• InChI: InChI=1S/C7H5IN2/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H
• InChIKey: ZYXOOFUOEJPQKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-iodoimidazo[1,2-a]pyridine
• Synonyms: 6-Iodoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 426825-75-4
• MDL Number: MFCD06200985
• PubChem SID: 162047005
• PubChem CID: 2764327

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.89200115
• LogD (pH = 7.4): 1.636632
• Log P: 1.6884938
• Molar Refractivity: 49.2989 cm^3
• Polarizability: 18.487122 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 131 °C; 130-131°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: > 95%; >95%; 95+%